5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole

C21H24F2N2 — CID 130300460

IUPAC5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CCC2CCC(F)(F)CC2)n2cncc21
InChIInChI=1S/C21H24F2N2/c1-15-19-13-24-14-25(19)18(20(15)17-5-3-2-4-6-17)8-7-16-9-11-21(22,23)12-10-16/h2-6,13-14,16,18H,7-12H2,1H3
InChIKeySEOIFQFGNGALIY-UHFFFAOYSA-N
MW342.43 g/mol
LogP5.97
Rot. Bonds4

About 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole

5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole (PubChem CID 130300460) has the molecular formula C21H24F2N2 and a molecular weight of 342.43 g/mol. Its IUPAC name is 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole.

Molecular Properties

Compound Name5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
PubChem CID130300460
Molecular FormulaC21H24F2N2
Molecular Weight342.43 g/mol
Exact Mass342.19
IUPAC Name5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole
SMILESCC1=C(c2ccccc2)C(CCC2CCC(F)(F)CC2)n2cncc21
InChIInChI=1S/C21H24F2N2/c1-15-19-13-24-14-25(19)18(20(15)17-5-3-2-4-6-17)8-7-16-9-11-21(22,23)12-10-16/h2-6,13-14,16,18H,7-12H2,1H3
InChIKeySEOIFQFGNGALIY-UHFFFAOYSA-N
XLogP5.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The IUPAC name of 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole (CID 130300460) is 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole.
What is the SMILES notation for 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The canonical SMILES for 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole is CC1=C(c2ccccc2)C(CCC2CCC(F)(F)CC2)n2cncc21.
What is the InChIKey of 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
The InChIKey is SEOIFQFGNGALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2/c1-15-19-13-24-14-25(19)18(20(15)17-5-3-2-4-6-17)8-7-16-9-11-21(22,23)12-10-16/h2-6,13-14,16,18H,7-12H2,1H3.
What are the key properties of 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole?
5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole has a molecular weight of 342.43 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluorocyclohexyl)ethyl]-7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazole is sourced from PubChem (CID 130300460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).